2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)prop-2-enamide
2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-0449 |
| Compound Name: | 2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N-(4-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 517.56 |
| Molecular Formula: | C26 H23 N5 O5 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccc(cc4)OC)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7055 |
| logD: | 3.6963 |
| logSw: | -4.1656 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.082 |
| InChI Key: | IJFPHBQGLSMZHG-UHFFFAOYSA-N |